General Information of the Compound
| Compound ID |
CP0524956
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(2-oxo-3H-benzimidazol-1-yl)-N-[(2R)-1-oxo-4-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]piperidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H44N6O3
|
||||||||||||||||||
| Molecular Weight |
572.754
|
||||||||||||||||||
| Canonical SMILES |
O=C(N[C@H](CCc1ccccc1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H44N6O3/c40-31(37-21-15-26(16-22-37)36-19-7-2-8-20-36)29(14-13-25-9-3-1-4-10-25)35-32(41)38-23-17-27(18-24-38)39-30-12-6-5-11-28(30)34-33(39)42/h1,3-6,9-12,26-27,29H,2,7-8,13-24H2,(H,34,42)(H,35,41)/t29-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GKJYAPGFSZTXDD-GDLZYMKVSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound